⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12153789 | 1.00 | — | — | |
| SCHEMBL15698053 | 1.00 | — | — | |
| SCHEMBL23572364 | 1.00 | — | — | |
| SCHEMBL24715857 | 0.79 | — | — | |
| SCHEMBL15721581 | 0.76 | — | — | |
| SCHEMBL15679930 | 0.76 | — | — | |
| SCHEMBL15488916 | 0.76 | — | — | |
| SCHEMBL24861022 | 0.74 | — | — | |
| SCHEMBL21320110 | 0.74 | — | — | |
| SCHEMBL20080610 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210246128-A1 | BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2021-08-12 | — | — | US | disclosed |
| WO-2021011641-A1 | CRYSTALLINE FORMS OF SOMATOSTATIN MODULATORS | Crinetics Pharmaceuticals, Inc. (US) | 2021-01-21 | — | — | WO | disclosed |
| WO-2020219729-A1 | PAPD5 INHIBITORS AND METHODS OF USE THEREOF | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2020-10-29 | — | — | WO | disclosed |
| US-10544138-B2 | Tricyclic kinase inhibitors of MELK and methods of use | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-01-28 | — | — | US | disclosed |
| US-8748429-B2 | CGRP receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-06-10 | — | — | US | disclosed |
| US-20130096130-A1 | CGRP Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2013-04-18 | — | — | US | disclosed |